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Chemical structure of DBM-C5-VC-PAB-MMAE

GC74061

DBM-C5-VC-PAB-MMAE

Also known as [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(3,4-dibromo-2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate

DBM-C5-VC-PAB-MMAE (Compound 3a) is a Drug-Linker conjugate for ADC

ChemicalCAS1644228-55-6MW1474.42FormulaC68H103Br2N11O15
CAS number
1644228-55-6
Molecular weight
1474.42
Formula
C68H103Br2N11O15
InChIKey
HUVBFPTZLBVBAA-KKUITVJMSA-N
Catalogue number
GC74061
Brand
GLPBIO
Computed properties PubChem CID 171904645 · XLogP 6.7 · TPSA 347 Ų · H-bond donors 8
XLogP
6.7
TPSA
347 Ų
H-bond donors
8
H-bond acceptors
15
Rotatable bonds
39
Heavy atoms
96

SMILES CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN4C(=O)C(=C(C4=O)Br)Br

Computed descriptors from PubChem (CID 171904645), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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